(1S,2S,5S,6S,14R)-11-methoxy-2-(methoxymethoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-6-carboxylic acid

C18H22O6 — CID 10568713

IUPAC(1S,2S,5S,6S,14R)-11-methoxy-2-(methoxymethoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-6-carboxylic acid
SMILESCOCO[C@H]1CC[C@H]2[C@@H]3c4c(ccc(OC)c4O[C@@H]31)C[C@@H]2C(=O)O
InChIInChI=1S/C18H22O6/c1-21-8-23-13-6-4-10-11(18(19)20)7-9-3-5-12(22-2)16-14(9)15(10)17(13)24-16/h3,5,10-11,13,15,17H,4,6-8H2,1-2H3,(H,19,20)/t10-,11+,13+,15-,17-/m1/s1
InChIKeyWTCMIGIGIAGKHK-ZKRLBSCHSA-N
MW334.37 g/mol
LogP2.20
Rot. Bonds5

About (1S,2S,5S,6S,14R)-11-methoxy-2-(methoxymethoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-6-carboxylic acid

(1S,2S,5S,6S,14R)-11-methoxy-2-(methoxymethoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-6-carboxylic acid (PubChem CID 10568713) has the molecular formula C18H22O6 and a molecular weight of 334.37 g/mol. Its IUPAC name is (1S,2S,5S,6S,14R)-11-methoxy-2-(methoxymethoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-6-carboxylic acid.

Molecular Properties

Compound Name(1S,2S,5S,6S,14R)-11-methoxy-2-(methoxymethoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-6-carboxylic acid
PubChem CID10568713
Molecular FormulaC18H22O6
Molecular Weight334.37 g/mol
Exact Mass334.14
IUPAC Name(1S,2S,5S,6S,14R)-11-methoxy-2-(methoxymethoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-6-carboxylic acid
SMILESCOCO[C@H]1CC[C@H]2[C@@H]3c4c(ccc(OC)c4O[C@@H]31)C[C@@H]2C(=O)O
InChIInChI=1S/C18H22O6/c1-21-8-23-13-6-4-10-11(18(19)20)7-9-3-5-12(22-2)16-14(9)15(10)17(13)24-16/h3,5,10-11,13,15,17H,4,6-8H2,1-2H3,(H,19,20)/t10-,11+,13+,15-,17-/m1/s1
InChIKeyWTCMIGIGIAGKHK-ZKRLBSCHSA-N
XLogP2.20
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (1S,2S,5S,6S,14R)-11-methoxy-2-(methoxymethoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-diazo-1-[(1S,2S,5S,6S,14R)-11-methoxy-2-(methoxymethoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-6-yl]ethanone
CID 100993541
methyl (1S,2R,5S,6S,14R)-2-hydroxy-11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-6-carboxylate
CID 10662273
methyl (1S,2S,5S,6S,14R)-2-hydroxy-11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-6-carboxylate
CID 10494714
(1S,2S,6S)-6-[ethyl(methyl)amino]-11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-ol
CID 147763261
ethane;N-[(1S,6S)-2-fluoro-11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-6-yl]benzenesulfonamide
CID 142605798
11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,8(13),9,11-tetraen-2-ol
CID 170196060
ethane;phenyl N-(2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl)carbamate
CID 144846181
(1R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexane-1-carboxylic acid
CID 126658672
6,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 82127851
(1S,5R,6R)-11-methoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-amine
CID 70834615
[(8E)-4-methoxy-11,13-dimethyl-6-oxa-13-azatetracyclo[10.5.1.05,17.07,16]octadeca-1(17),2,4,8-tetraen-8-yl] benzoate
CID 134186040
(12S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),10-tetraene
CID 134526022

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5S,6S,14R)-11-methoxy-2-(methoxymethoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-6-carboxylic acid?
The IUPAC name of (1S,2S,5S,6S,14R)-11-methoxy-2-(methoxymethoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-6-carboxylic acid (CID 10568713) is (1S,2S,5S,6S,14R)-11-methoxy-2-(methoxymethoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-6-carboxylic acid.
What is the SMILES notation for (1S,2S,5S,6S,14R)-11-methoxy-2-(methoxymethoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-6-carboxylic acid?
The canonical SMILES for (1S,2S,5S,6S,14R)-11-methoxy-2-(methoxymethoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-6-carboxylic acid is COCO[C@H]1CC[C@H]2[C@@H]3c4c(ccc(OC)c4O[C@@H]31)C[C@@H]2C(=O)O.
What is the InChIKey of (1S,2S,5S,6S,14R)-11-methoxy-2-(methoxymethoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-6-carboxylic acid?
The InChIKey is WTCMIGIGIAGKHK-ZKRLBSCHSA-N. The full InChI is InChI=1S/C18H22O6/c1-21-8-23-13-6-4-10-11(18(19)20)7-9-3-5-12(22-2)16-14(9)15(10)17(13)24-16/h3,5,10-11,13,15,17H,4,6-8H2,1-2H3,(H,19,20)/t10-,11+,13+,15-,17-/m1/s1.
What are the key properties of (1S,2S,5S,6S,14R)-11-methoxy-2-(methoxymethoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-6-carboxylic acid?
(1S,2S,5S,6S,14R)-11-methoxy-2-(methoxymethoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-6-carboxylic acid has a molecular weight of 334.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5S,6S,14R)-11-methoxy-2-(methoxymethoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-6-carboxylic acid is sourced from PubChem (CID 10568713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).